2,6-dimethyldodecan-1-ol;sulfuric acid

C14H32O5S — CID 87950586

IUPAC2,6-dimethyldodecan-1-ol;sulfuric acid
SMILESCCCCCCC(C)CCCC(C)CO.O=S(=O)(O)O
InChIInChI=1S/C14H30O.H2O4S/c1-4-5-6-7-9-13(2)10-8-11-14(3)12-15;1-5(2,3)4/h13-15H,4-12H2,1-3H3;(H2,1,2,3,4)
InChIKeyPSDSXRPNBJJXIS-UHFFFAOYSA-N
MW312.47 g/mol
LogP3.74
Rot. Bonds10

About 2,6-dimethyldodecan-1-ol;sulfuric acid

2,6-dimethyldodecan-1-ol;sulfuric acid (PubChem CID 87950586) has the molecular formula C14H32O5S and a molecular weight of 312.47 g/mol. Its IUPAC name is 2,6-dimethyldodecan-1-ol;sulfuric acid.

Molecular Properties

Compound Name2,6-dimethyldodecan-1-ol;sulfuric acid
PubChem CID87950586
Molecular FormulaC14H32O5S
Molecular Weight312.47 g/mol
Exact Mass312.20
IUPAC Name2,6-dimethyldodecan-1-ol;sulfuric acid
SMILESCCCCCCC(C)CCCC(C)CO.O=S(=O)(O)O
InChIInChI=1S/C14H30O.H2O4S/c1-4-5-6-7-9-13(2)10-8-11-14(3)12-15;1-5(2,3)4/h13-15H,4-12H2,1-3H3;(H2,1,2,3,4)
InChIKeyPSDSXRPNBJJXIS-UHFFFAOYSA-N
XLogP3.74
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyldodecan-1-ol
CID 14392571
2,6-dimethylundecan-1-ol sulfate
CID 18328665
methanesulfonic acid;2-methylheptan-1-ol
CID 175345727
5-methyldodecan-1-ol;sulfuric acid
CID 87950603
11-methylhexadecan-1-ol;sulfuric acid
CID 87591913
10-methylhexadecan-1-ol;sulfuric acid
CID 87592711
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
azane;4-methylhexadecane;sulfuric acid
CID 174730502
2,7-dimethylundecan-1-ol sulfate
CID 18328618
2-methyl-6-octyltetradecan-1-ol
CID 174680408
11,15-dimethylheptacosane
CID 6430046

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyldodecan-1-ol;sulfuric acid?
The IUPAC name of 2,6-dimethyldodecan-1-ol;sulfuric acid (CID 87950586) is 2,6-dimethyldodecan-1-ol;sulfuric acid.
What is the SMILES notation for 2,6-dimethyldodecan-1-ol;sulfuric acid?
The canonical SMILES for 2,6-dimethyldodecan-1-ol;sulfuric acid is CCCCCCC(C)CCCC(C)CO.O=S(=O)(O)O.
What is the InChIKey of 2,6-dimethyldodecan-1-ol;sulfuric acid?
The InChIKey is PSDSXRPNBJJXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O.H2O4S/c1-4-5-6-7-9-13(2)10-8-11-14(3)12-15;1-5(2,3)4/h13-15H,4-12H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 2,6-dimethyldodecan-1-ol;sulfuric acid?
2,6-dimethyldodecan-1-ol;sulfuric acid has a molecular weight of 312.47 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyldodecan-1-ol;sulfuric acid is sourced from PubChem (CID 87950586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).